1-[4-(3-phenylmethoxyanilino)phenyl]ethanone

C21H19NO2 — CID 174285774

IUPAC1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C21H19NO2/c1-16(23)18-10-12-19(13-11-18)22-20-8-5-9-21(14-20)24-15-17-6-3-2-4-7-17/h2-14,22H,15H2,1H3
InChIKeyGZGCSMRGIIRYQA-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.21
Rot. Bonds6

About 1-[4-(3-phenylmethoxyanilino)phenyl]ethanone

1-[4-(3-phenylmethoxyanilino)phenyl]ethanone (PubChem CID 174285774) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[4-(3-phenylmethoxyanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
PubChem CID174285774
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C21H19NO2/c1-16(23)18-10-12-19(13-11-18)22-20-8-5-9-21(14-20)24-15-17-6-3-2-4-7-17/h2-14,22H,15H2,1H3
InChIKeyGZGCSMRGIIRYQA-UHFFFAOYSA-N
XLogP5.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171831022
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
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1-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethanone
CID 58014066
4-[(3-acetamidophenoxy)methyl]benzoic acid
CID 28829525
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 7240030
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
3-(4-acetylanilino)benzoic acid
CID 11184397
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
CID 22052676
ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate
CID 143046126

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenylmethoxyanilino)phenyl]ethanone?
The IUPAC name of 1-[4-(3-phenylmethoxyanilino)phenyl]ethanone (CID 174285774) is 1-[4-(3-phenylmethoxyanilino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-phenylmethoxyanilino)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-phenylmethoxyanilino)phenyl]ethanone is CC(=O)c1ccc(Nc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 1-[4-(3-phenylmethoxyanilino)phenyl]ethanone?
The InChIKey is GZGCSMRGIIRYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-16(23)18-10-12-19(13-11-18)22-20-8-5-9-21(14-20)24-15-17-6-3-2-4-7-17/h2-14,22H,15H2,1H3.
What are the key properties of 1-[4-(3-phenylmethoxyanilino)phenyl]ethanone?
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenylmethoxyanilino)phenyl]ethanone is sourced from PubChem (CID 174285774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).